SCHEMBL7628046

SCHEMBL7628046

CC(C)(C)C(=O)Oc1ccc(CBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRB2 P07550 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27469136 0.88 ELANE (0.43) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL19663401 0.83 ELANE (0.46) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL7626215 0.83 CFD (0.51) CYP4F2CYP4A11ALDH1A1LMNACYP3A4
SCHEMBL22021943 0.82 ELANE (0.45) ELANECYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL10228539 0.79 CYP2C19 (0.49) CYP4F2CYP4A11ALDH1A1RXRARXRB
SCHEMBL7630112 0.78 PPARG (0.41) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL7635761 0.78 ELANE (0.49) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL4682002 0.76 FBP1 (0.57) CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL19655518 0.75 ELANE (0.39) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL7635767 0.74 HTT (0.46) LMNAMEN1KMT2ATSHRCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754683-B1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
US-5883262-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
US-5684022-A ANTIFERTILITY AGENT PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-04 US disclosed
EP-0757048-A1 ETHER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-02-05 EP disclosed
EP-0754683-A1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-01-22 EP disclosed